[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[(3-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-[(3-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(m-tolylsulfonylamino)propanoate CAS Name: 3-[(3-methylphenyl)sulfonylamino]propanoic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-[(3-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(m-tolylsulfonylamino)propionic acid [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O6S MolecularWeight: 439.52576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)OC(C)C(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C20H29N3O6S/c1-14-7-6-10-17(13-14)30(27,28)21-12-11-18(24)29-15(2)19(25)23-20(26)22-16-8-4-3-5-9-16/h6-7,10,13,15-16,21H,3-5,8-9,11-12H2,1-2H3,(H2,22,23,25,26)/t15-/m1/s1